# generated using pymatgen
data_Tl3SnSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42498000
_cell_length_b   8.36892600
_cell_length_c   15.29312747
_cell_angle_alpha   80.76924279
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3SnSe4
_chemical_formula_sum   'Tl12 Sn4 Se16'
_cell_volume   1064.32483951
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tl  Tl0  1  0.02547700  0.49231200  0.61666400  1.0
  Tl  Tl1  1  0.52547700  0.50768800  0.88333600  1.0
  Tl  Tl2  1  0.97452300  0.50768800  0.38333600  1.0
  Tl  Tl3  1  0.47452300  0.49231200  0.11666400  1.0
  Tl  Tl4  1  0.39190100  0.26637200  0.63668000  1.0
  Tl  Tl5  1  0.89190100  0.73362800  0.86332000  1.0
  Tl  Tl6  1  0.60809900  0.73362800  0.36332000  1.0
  Tl  Tl7  1  0.10809900  0.26637200  0.13668000  1.0
  Tl  Tl8  1  0.82651800  0.09796000  0.61368000  1.0
  Tl  Tl9  1  0.32651800  0.90204000  0.88632000  1.0
  Tl  Tl10  1  0.17348200  0.90204000  0.38632000  1.0
  Tl  Tl11  1  0.67348200  0.09796000  0.11368000  1.0
  Sn  Sn12  1  0.59791600  0.70211500  0.62408900  1.0
  Sn  Sn13  1  0.09791600  0.29788500  0.87591100  1.0
  Sn  Sn14  1  0.40208400  0.29788500  0.37591100  1.0
  Sn  Sn15  1  0.90208400  0.70211500  0.12408900  1.0
  Se  Se16  1  0.64187700  0.33522200  0.47432000  1.0
  Se  Se17  1  0.14187700  0.66477800  0.02568000  1.0
  Se  Se18  1  0.35812300  0.66477800  0.52568000  1.0
  Se  Se19  1  0.85812300  0.33522200  0.97432000  1.0
  Se  Se20  1  0.57009800  0.91808700  0.72752500  1.0
  Se  Se21  1  0.07009800  0.08191300  0.77247500  1.0
  Se  Se22  1  0.42990200  0.08191300  0.27247500  1.0
  Se  Se23  1  0.92990200  0.91808700  0.22752500  1.0
  Se  Se24  1  0.65915400  0.80483900  0.02473500  1.0
  Se  Se25  1  0.15915400  0.19516100  0.47526500  1.0
  Se  Se26  1  0.34084600  0.19516100  0.97526500  1.0
  Se  Se27  1  0.84084600  0.80483900  0.52473500  1.0
  Se  Se28  1  0.19449900  0.56330200  0.78198300  1.0
  Se  Se29  1  0.69449900  0.43669800  0.71801700  1.0
  Se  Se30  1  0.80550100  0.43669800  0.21801700  1.0
  Se  Se31  1  0.30550100  0.56330200  0.28198300  1.0